5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile

C17H15FN2 — CID 79979673

IUPAC5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
SMILESN#Cc1cc(NCc2ccccc2C2CC2)ccc1F
InChIInChI=1S/C17H15FN2/c18-17-8-7-15(9-14(17)10-19)20-11-13-3-1-2-4-16(13)12-5-6-12/h1-4,7-9,12,20H,5-6,11H2
InChIKeyBPJVFTMDCQTHBB-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.19
Rot. Bonds4

About 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile

5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile (PubChem CID 79979673) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
PubChem CID79979673
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
SMILESN#Cc1cc(NCc2ccccc2C2CC2)ccc1F
InChIInChI=1S/C17H15FN2/c18-17-8-7-15(9-14(17)10-19)20-11-13-3-1-2-4-16(13)12-5-6-12/h1-4,7-9,12,20H,5-6,11H2
InChIKeyBPJVFTMDCQTHBB-UHFFFAOYSA-N
XLogP4.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 62318189
4-[(2-cyclopropylphenyl)methylamino]benzonitrile
CID 79979257
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
CID 79968726
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
5-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-2-fluorobenzonitrile
CID 62317150
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
CID 62326498
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79884045
5-(cyclohexylmethylamino)-2-fluorobenzonitrile
CID 62317493
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835
5-[(2-chloro-4-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 106862578
2-fluoro-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)benzonitrile
CID 63476587

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile (CID 79979673) is 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile is N#Cc1cc(NCc2ccccc2C2CC2)ccc1F.
What is the InChIKey of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile?
The InChIKey is BPJVFTMDCQTHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-17-8-7-15(9-14(17)10-19)20-11-13-3-1-2-4-16(13)12-5-6-12/h1-4,7-9,12,20H,5-6,11H2.
What are the key properties of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile?
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile has a molecular weight of 266.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile is sourced from PubChem (CID 79979673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).